UCSF

ZINC54370069

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 4.95 -50.5 2 4 1 40 248.35 2
Mid Mid (pH 6-8) 0.63 3.61 -8.38 1 4 0 36 247.342 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )